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sodium 3-azanyl-4-(nonadecan-2-ylamino)benzenesulfonate

sodium 3-azanyl-4-(nonadecan-2-ylamino)benzenesulfonate

Systemtic Name:sodium 3-azanyl-4-(nonadecan-2-ylamino)benzenesulfonate
Openeye Name:sodium 3-amino-4-(1-methyloctadecylamino)benzenesulfonate
CAS Name:sodium 3-amino-4-(nonadecan-2-ylamino)benzenesulfonate
IUPAC Name:sodium 3-amino-4-(nonadecan-2-ylamino)benzenesulfonate
Traditional Name:sodium 3-amino-4-(1-methyloctadecylamino)besylate
Formula: C25H45N2NaO3S
MolecularWeight: 476.69117
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)S(=O)(=O)[O-])N.[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)S(=O)(=O)[O-])N.[Na+]


InChI

InChI=1S/C25H46N2O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)27-25-20-19-23(21-24(25)26)31(28,29)30;/h19-22,27H,3-18,26H2,1-2H3,(H,28,29,30);/q;+1/p-1


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